Mol:LBF20306HO06
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 24 23 0 0 1 0 0 0 0 0999 V2000 -3.2539 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3654 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6853 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1648 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2679 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9189 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3805 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0162 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4288 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2539 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9912 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9912 -0.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2768 -0.8803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0805 1.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0805 -0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0354 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6229 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7978 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3852 -1.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3654 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6853 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2679 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3805 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21 22 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 4 0 0 0 8 9 1 0 0 0 0 10 9 1 4 0 0 0 3 11 1 0 0 0 0 11 4 1 4 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 10 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 1 17 1 0 0 0 0 2 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 2 21 2 0 0 0 0 3 22 2 0 0 0 0 5 23 2 0 0 0 0 7 24 2 0 0 0 0 S SKP 5 ID LBF20306HO06 FORMULA C20H32O4 EXACTMASS 336.23005951199997 AVERAGEMASS 336.46567999999996 SMILES C(CC=CC=CC(OO)CC=CCC=CCCCC(O)=O)CCC M END
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